ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1650605
CHEMBL1650605
Compound Name CLOPYRALID
ChEMBL Synonyms 3,6-Dichloropicolinic Acid
Max Phase 0
Trade Names
Molecular Formula C6H3Cl2NO2

Additional synonyms for CHEMBL1650605 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)c1nc(Cl)ccc1Cl
Standard InChI InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,1 ...
Download InChI
Standard InChI Key HUBANNPOLNYSAD-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1650605

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
192 190.9541 2.09 1 50.19 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.02 - 1.59 -1.56 1 11 0.69

Structural Alerts

There are 5 structural alerts for CHEMBL1650605. To view alerts please click here.

Compound Cross References

HRAC O - ACTION LIKE INDOLE ACETIC ACID (SYNTHETIC AUXINS)
O3 - PYRIDINE CARBOXYLIC ACID
O31 - CLOPYRALID
ChemSpider ChemSpider:HUBANNPOLNYSAD-UHFFFAOYSA-N
PubChem SID: 144208633 SID: 144211193 SID: 26757242

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1650605



ACToR 1702-17-6
ChEBI 62961
ChemicalBook CB7186620
eMolecules 501658
EPA CompTox Dashboard DTXSID9029221
FDA SRS 10G14M0WDH
IBM Patent System FCE91F20108FCA1EAD01337220DFE0D3
KEGG Ligand C18779
Mcule MCULE-3850879829
MolPort MolPort-000-003-523
Nikkaji J7.566C
PubChem 15553
PubChem: Thomson Pharma 15120812
SureChEMBL SCHEMBL54779
ZINC ZINC000000139433

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/HUBANNPOLNYSAD-UHFFFAOYSA-N spacer
spacer